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474932

2,5-Dichlorophenyl isothiocyanate

Name: 2,5-Dichlorophenyl isothiocyanate
Brand: ALDRICH

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About This Item

Linear Formula:

Cl₂C₆H₃NCS

CAS Number:

3386-42-3

Molecular Weight:

204.08

NACRES:

NA.22

PubChem Substance ID:

24871067

UNSPSC Code:

12352100

MDL number:

MFCD00041054

Assay:

98%

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Properties

assay

98%

refractive index

n20/D 1.67 (lit.)

bp

145-147 °C/15 mmHg (lit.)

density

1.425 g/mL at 25 °C (lit.)

SMILES string

Clc1ccc(Cl)c(c1)N=C=S

InChI

1S/C7H3Cl2NS/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H

InChI key

JHTPBGFVWWSHDL-UHFFFAOYSA-N

Description

General description

2,5-Dichlorophenyl isothiocyanate, an isothiocyanate derivative, is also referred to as 1,4-dichloro-2-isothiocyanatobenzene. Its enthalpy of vaporization at boiling point (536.82K) has been reported to be 47.433kjoule/mol.

pictograms

GHS05

signalword

Danger

hcodes

H314

pcodes

P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number

17120HR

08929CO

04504HA

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Yaws CL.

Thermophysical Properties of Chemicals and Hydrocarbons, 535-535 (2014)

Studies on Isoniazid Derivatives through a Medicinal Chemistry Approach for the Identification of New Inhibitors of Urease and Inflammatory Markers.

Fazila Rizvi et al.

Scientific reports, 9(1), 6738-6738 (2019-05-03)

A library of thiosemicarbazide derivatives of isoniazid 3-27, was synthesized and evaluated for their anti-inflammatory and urease inhibition activities, by using in vitro bioassays. Among these compounds 9, 10, 12, 21, and 26 were identified as new derivatives. Prolonged use

Global Trade Item Number

SKU	GTIN
474932-5ML	04061837248108